methyl 4-[4-(4,4-diphenylbutyl)-3-oxidanylidene-1,2-oxazol-5-yl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[4-(4,4-diphenylbutyl)-3-oxidanylidene-1,2-oxazol-5-yl]piperidine-1-carboxylate Openeye Name: methyl 4-[4-(4,4-diphenylbutyl)-3-oxo-isoxazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4,4-diphenylbutyl)-3-oxo-5-isoxazolyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4,4-diphenylbutyl)-3-oxo-1,2-oxazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4,4-diphenylbutyl)-3-keto-4-isoxazolin-5-yl]piperidine-1-carboxylic acid methyl ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1CCC(CC1)C2=C(C(=O)NO2)CCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O4/c1-31-26(30)28-17-15-21(16-18-28)24-23(25(29)27-32-24)14-8-13-22(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3,(H,27,29)